REMARK  Name = BDB014077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.223  -0.147  -0.782  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.553   0.639   0.196  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -2.047   0.258   0.137  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -2.684   0.520  -1.177  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.693   0.446  -2.270  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.491  -0.490  -2.018  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.494   1.692   2.458  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1        4.253   0.918   1.479  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1        3.575   0.182   0.490  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1        2.218   0.343   0.327  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1        1.582  -0.304  -0.600  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        2.238  -1.178  -1.416  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        1.736  -1.740  -2.078  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1        3.562  -1.453  -1.296  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1        4.112  -2.302  -1.990  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        4.282  -0.673  -0.278  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        5.761  -0.886  -0.158  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1        6.439   0.209   0.660  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        5.608   0.545   1.891  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -3.822  -0.387  -1.411  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.969  -0.169  -0.444  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -5.467  -1.171   0.403  0.00  0.00    +0.045 A 
ATOM     23 CL   LIG    1       -4.802  -2.766   0.441  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -6.539  -0.907   1.264  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -7.128   0.357   1.291  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.649   1.361   0.456  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.581   1.100  -0.404  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3